1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]heptan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]heptan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-heptanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]heptan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]heptan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

Isomeric SMILES

CCCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C

InChI

InChI=1S/C24H34N4O/c1-4-5-6-10-13-23(29)27-14-16-28(17-15-27)24-22(19(2)25-20(3)26-24)18-21-11-8-7-9-12-21/h7-9,11-12H,4-6,10,13-18H2,1-3H3